SCHEMBL23398640

SCHEMBL23398640

CCCc1[nH]n(CC(C)C)c(=O)c1CC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23403682 0.92 MEN1 (0.35) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23400440 0.90 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23402577 0.89 MEN1 (0.33) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23401687 0.88 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23402360 0.87 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23402886 0.87 MEN1 (0.34) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23399072 0.85 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23401351 0.84 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23401727 0.82 — —
SCHEMBL23398409 0.81 KDM4E (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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